1-[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine

C14H29N3 — CID 80999736

IUPAC1-[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine
SMILESCCC(C)N1CCN(C2CCC2CNC)CC1
InChIInChI=1S/C14H29N3/c1-4-12(2)16-7-9-17(10-8-16)14-6-5-13(14)11-15-3/h12-15H,4-11H2,1-3H3
InChIKeyJJJHZVJYIRAEDB-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds5

About 1-[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine

1-[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine (PubChem CID 80999736) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine
PubChem CID80999736
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine
SMILESCCC(C)N1CCN(C2CCC2CNC)CC1
InChIInChI=1S/C14H29N3/c1-4-12(2)16-7-9-17(10-8-16)14-6-5-13(14)11-15-3/h12-15H,4-11H2,1-3H3
InChIKeyJJJHZVJYIRAEDB-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine (CID 80999736) is 1-[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine is CCC(C)N1CCN(C2CCC2CNC)CC1.
What is the InChIKey of 1-[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine?
The InChIKey is JJJHZVJYIRAEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-12(2)16-7-9-17(10-8-16)14-6-5-13(14)11-15-3/h12-15H,4-11H2,1-3H3.
What are the key properties of 1-[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine?
1-[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine has a molecular weight of 239.41 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-butan-2-ylpiperazin-1-yl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 80999736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).